methyl 4-[5-[4-(triphenylmethyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]butanoate

Systemtic Name: methyl 4-[5-[4-(triphenylmethyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]butanoate Openeye Name: methyl 4-[5-(4-trityl-1-piperidyl)-1,3,4-thiadiazol-2-yl]butanoate CAS Name: 4-[5-[4-(triphenylmethyl)-1-piperidinyl]-1,3,4-thiadiazol-2-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-(4-tritylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]butanoate Traditional Name: 4-[5-(4-tritylpiperidino)-1,3,4-thiadiazol-2-yl]butyric acid methyl ester Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=NN=C(S1)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CCCC1=NN=C(S1)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O2S/c1-36-29(35)19-11-18-28-32-33-30(37-28)34-22-20-27(21-23-34)31(24-12-5-2-6-13-24,25-14-7-3-8-15-25)26-16-9-4-10-17-26/h2-10,12-17,27H,11,18-23H2,1H3